SCHEMBL8205487

SCHEMBL8205487

CC(=O)c1cccc(-c2nn(C)nc2-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.50
KDR P35968 3/20 0.50
MAP4K4 O95819 2/20 0.50
ABL1 P00519 2/20 0.50
CSF1R P07333 2/20 0.50
FGFR1 P11362 2/20 0.50
CDK8 P49336 2/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
PRKCQ Q04759 2/20 0.50
LRRK2 Q5S007 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
NTRK1 P04629 1/20 0.50
RET P07949 1/20 0.50
PRKACA P17612 1/20 0.50
MAP2K2 P36507 1/20 0.50
MAPK8 P45983 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13510711 0.85 MAP4K4 (0.51) CLK4KDRMAP4K4ABL1CSF1R
SCHEMBL13509091 0.84 ABL1 (0.51) CLK4KDRMAP4K4ABL1CSF1R
SCHEMBL407605 0.77 KMO (0.67) CLK4MAP4K4CSNK1G2MKNK2MAP4K5
SCHEMBL29446517 0.77 KMO (0.67) CLK4MAP4K4CSNK1G2MKNK2MAP4K5
SCHEMBL8205488 0.77 HPGD (0.58) CLK4KDRMAP4K4FGFR1JAK2
SCHEMBL8205966 0.77 KMT2A (0.48) BRD4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8213174 0.76 MEN1 (0.58) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10389918 0.75 MAP4K4 (0.59) CLK4KDRMAP4K4CDK8LRRK2
SCHEMBL22282039 0.75 MAP4K4 (0.60) CLK4KDRMAP4K4ABL1CSF1R
SCHEMBL30937995 0.75 MAP4K4 (0.60) CLK4KDRMAP4K4ABL1CSF1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC CLK4 2226/4885KDR 4580/4885MAP4K4 955/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.